Product and Process Modelling

This book covers the area of product and process modelling via a case study approach. It addresses a wide range of modelling applications with emphasis on modelling methodology and the subsequent in-depth analysis of mathematical models to gain insight via structural aspects of the models. These approaches are put into the context of life cycle modelling, where multiscale and multiform modelling is increasingly prevalent in the 21st century. The book commences with a discussion of modern product and process modelling theory and practice followed by a series of case studies drawn from a variety of process industries.

The book builds on the extensive modelling experience of the authors, who have developed models for both research and industrial purposes. It complements existing books by the authors in the modelling area. Those areas include the traditional petroleum and petrochemical industries to biotechnology applications, food, polymer and human health application areas. The book highlights to important nature of modern product and process modelling in the decision making processes across the life cycle. As such it provides an important resource for students, researchers and industrial practitioners.

Ian Cameron is Professor in Chemical Engineering at the University of Queensland with teaching, research, and consulting activities in process systems engineering. He has a particular interest in process modelling, dynamic simulation, and the application of functional systems perspectives to risk management, having extensive industrial experience in these areas. He continues to work closely with industry and government on systems approaches to process and risk management issues. He received his BE from the University of New South Wales (Australia) and his PhD from imperial College London. He is a Fellow of IChemE.

Rafiqul Gani is a Professor of Systems Design at the Department of Chemical and Biochemical Engineering, Technical University of Denmark, and the director of the Computer Aided Product-Process Engineering Center (CAPEC). His research interests include the development of computer-aided methods and tools for modelling, property estimation and process-product synthesis and design. He received his BSc from Bangladesh University of Engineering and Technology in 1975, and his MSc in 1976 and PhD in 1980 from Imperial College London. He is the editor-in-chief of Computers and Chemical Engineering journal and Fellow of IChemE as well as AIChE.

• Product and process modelling; a wide range of case studies are covered
• Structural analysis of model systems; insights into structure and solvability
• Analysis of future developments; potential directions and significant research and development problems to be addressed

Researchers in Process industries, practitioners in Chemical, Product and Process Engineering and academic students

Contributors

Preface

Part-I

Chapter 1. Modelling: Nature and Use

1.1 Modelling Fundamentals

1.2 Model Use and Decision Making

1.3 Multiscale, Multiform Nature of Product-Process Modelling

1.4 Summary

1.5 Glossary

References

Chapter 2. Modelling Practice

2.1 Modelling Methodologies

2.2 Summary

References

Chapter 3. Computer-Aided Modelling Methods and Tools

3.1 Mathematical Models

3.2 Methods-tools for Model Representation

3.3 Model Generation

3.4 Modelling Toolbox

3.5 Summary

References

Appendix: Application of ModDev

Part-II

Chapter 4. Overview of the Case Studies

Chapter 5. Constitutive Models

5.1 Constitutive Models – Physical Properties

5.2 Property Model Parameter Estimation

5.3 Constitutive Model Applications

References

Chapter 6. Steady-State Process Modelling

6.1 Process Descriptions

6.2 Model Description

References

Chapter 7. Models for Dynamic Applications

7.1 Complex Unit Operations: Blending Tank

7.2 Complex Integrated Operations: Direct Methanol Fuel Cell

7.3 Multiscale Fluidised Bed Reactor

7.4 Dynamic Chemical Reactor

7.5 Polymerisation Reactor

References

Chapter 8. Distributed Parameter Modelling Applications

8.1 Oil Shale Pre-Heat and Cooling Unit

8.2 Modelling the Dynamic Performance of a Complex Granulation System for MAP–DAP Production

8.3 Short-Path Evaporator Model

8.4 Acknowledgements

References

Chapter 9. Tennessee Eastman Plant-wide Industrial Process Challenge Problem

9.1 Process Description

9.2 Simplified Model

9.3 Full (Process) Model

References

Chapter 10. Modelling of Batch Process Operations

10.1 Modelling of a Batch Crystallisation Process

10.2 Modelling Batch Distillation Operations

Nomenclature (for section 10.1)

Appendix

References

Chapter 11. Parameter Estimation

11.1 Modelling of Simple Reaction Kinetics

11.2 Kinetic Modelling – Parameter Estimation (1)

11.3 Kinetic Modelling – Parameter Estimation (2)

11.4 Kinetic Modelling – Parameter Estimation (3)

11.5 Kinetic Modelling – Parameter Estimation with Maximum Likelihood Principle

11.6 Parameter Regression - Dynamic Optimisation

References

Chapter 12. Modelling for Bio-,Agro- and Pharma-Applications

12.1 Microcapsule-Controlled Release of Active Ingredients

12.2 Fermentation Process Modelling

12.3 Milk Pasteurisation Process Modelling

12.4 Milling Process Model

12.5 Granulation Process Model

12.6 Pharmaceutical Tablet Pressing Process Model

References

Part-III

Chapter 13. Computer Aided Modelling – Opportunities and Challenges

References

Appendix-1

A1-5: Models from Chapter 5

A1-6: Models from Chapter 6

A1-7: Models from Chapter 7

A1-8: Models from Chapter 8

A1-9: Models from Chapter 9

A1-10: Models from Chapter 10

A1.11 Parameter Estimation

Appendix-2. Model Library

References

Index

Acronyms

Product and Process Modelling: A Case Study Approach